Molecule FYI-1005127

A

Molecule Summary:

ID: FYI-1005127
Names:
InChIKey: IEYGVJNQNBQOBB-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCC(c1ccccc1)c3c(O)c2ccccc2oc3=O

Received at FYIcenter.com on: 2023-10-15

Molecule ID: FYI-1005127 Edit

Molecule Structure InChIKey: IEYGVJNQNBQOBB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC(c1ccccc1)c3c(O)c2ccccc2oc3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005127
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 19  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005127-3D
FYIcenter.com

 64 66  0     1  0  0  0  0  0999 V2000
    1.9290   -2.6720    1.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108    0.0213   -1.1521 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082   -1.0968    2.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5823    2.0053    1.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5861    0.9137    0.5972 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.1584    2.0401    1.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2564    1.2226    0.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3234    1.5310   -0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3581    0.6014   -1.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3388   -2.1500   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8712   -3.0495    0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
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  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
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  9 40  1  0  0  0  0
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 13 18  2  0  0  0  0
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 15 20  1  0  0  0  0
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 16 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 28  2  0  0  0  0
 23 27  2  0  0  0  0
 23 54  1  0  0  0  0
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 25 56  1  0  0  0  0
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 26 29  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
M  END
$$$$

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2023-10-27, 1986👍, 0💬